New Pt(ii) and Pd(ii) complexes with the metal center coordinated to two different chelating ligands, tropolone (trop) and dihexadecyl-2,2'-bipyridine-4,4'-dicarboxylate bipyridine (bipy), [(bipy)M(trop)][CF(3)SO(3)], have been synthesized and their biological evaluation has been performed demonstrating a remarkable cytotoxic activity in vitro against the human prostate DU145 and hormone-sensitive LNCaP cells lines. Moreover, for the Pt(ii) derivative, the molecular structure has been determined by single-crystal X-ray diffraction and computational analysis on the hydrolysis reaction mechanisms have been performed by density functional theory (DFT) calculations, in order to correlate molecular structure, biological activity and mechanism of action of this new class of complexes based on two different bioactive fragments.
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http://dx.doi.org/10.1039/b808093c | DOI Listing |
Phytochemistry
January 2025
State Key Laboratory Basis of Xinjiang Indigenous Medicinal Plants Resource Utilization, and Key Laboratory of Plants Resources and Chemistry of Arid Zone, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing South Road 40-1, Urumqi 830011, Xinjiang, China; University of Chinese Academy of Sciences, Beijing 100039, China; College of Pharmacy, Xinjiang Medical University, Urumqi 830011, China. Electronic address:
Twelve flavonoid glycosides including five undescribed ones, lepisativutimines Q-U, were isolated and identified from Lepidium sativum seeds. Acid hydrolysis followed by acetic derivatization and GC analysis were conducted to determine the absolute configurations for sugars. Lepisativutimine U and beitingxinhuangtong A were uncommon kaempferol 8-S-glycosides, and complete NMR data of beitingxinhuangtong A were provided for the first time.
View Article and Find Full Text PDFVet World
November 2024
Research Organization of Agriculture and Food, National Research and Innovation Agency, Bogor, 16911, Indonesia.
Background And Aim: Postbiotics are functional bioactive compounds or bioactive molecules with beneficial effects on health and functional activities in humans or livestock, produced by probiotic bacteria or yeast. Several postbiotics, including enzymes, short-chain fatty acids, amino acids, extracellular polysaccharides, microbial cell fragments, and teichoic acids, are currently being widely studied. This study aimed to explore the potential of secondary metabolites of and as lactic acid bacteria (LAB) and yeast isolated from Budu (fermented fish) which can act as postbiotics through rumen fermentation.
View Article and Find Full Text PDFDigit Discov
January 2025
School of Natural and Environmental Sciences, Newcastle University Newcastle Upon Tyne NE1 7RU UK
FEgrow is an open-source software package for building congeneric series of compounds in protein binding pockets. For a given ligand core and receptor structure, it employs hybrid machine learning/molecular mechanics potential energy functions to optimise the bioactive conformers of supplied linkers and functional groups. Here, we introduce significant new functionality to automate, parallelise and accelerate the building and scoring of compound suggestions, such that it can be used for automated design.
View Article and Find Full Text PDFFront Nutr
December 2024
Key Laboratory of Cultivation and High-Value Utilization of Marine Organisms in Fujian Province, Fisheries Research Institute of Fujian, Xiamen, China.
Introduction: Hyperlipidemia remains a major disease threatening global public health. The morbidity and mortality associated with cardiovascular diseases have been increasing. The inhibition of 3-Hydroxy-3-methylglutaryl-coenzyme A reductase (HMGCR), a key enzyme in the cholesterol synthesis pathway, can effectively reduce cholesterol levels.
View Article and Find Full Text PDFCurr Drug Discov Technol
December 2024
Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Delhi Pharmaceutical Sciences and Research University, PushpViharSector-3, M-B Road, New Delhi, 110017, India.
Background: Computer-Aided Drug Design (CADD) approaches are essential in the drug discovery and development process. Both academic institutions and pharmaceutical and biotechnology corporations utilize them to enhance the efficacy of bioactive compounds.
Objective: This study aims to entice researchers by investigating the benefits of Computer-Aided Drug and Design (CADD) and its fundamental principles.
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